5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

C16H24N2S — CID 2806659

IUPAC5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(C)c(C)c(CSC2=NCC(C)N2)c(C)c1C
InChIInChI=1S/C16H24N2S/c1-9-7-17-16(18-9)19-8-15-13(5)11(3)10(2)12(4)14(15)6/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyCCMARQZPNDFALT-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.81
Rot. Bonds2

About 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 2806659) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID2806659
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(C)c(C)c(CSC2=NCC(C)N2)c(C)c1C
InChIInChI=1S/C16H24N2S/c1-9-7-17-16(18-9)19-8-15-13(5)11(3)10(2)12(4)14(15)6/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyCCMARQZPNDFALT-UHFFFAOYSA-N
XLogP3.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 2806659) is 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Cc1c(C)c(C)c(CSC2=NCC(C)N2)c(C)c1C.
What is the InChIKey of 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CCMARQZPNDFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-9-7-17-16(18-9)19-8-15-13(5)11(3)10(2)12(4)14(15)6/h9H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 276.45 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 2806659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).